Vitas-M small molecule compound
4-[(E)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STK701713
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)C1CCCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H22N2O6S2 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O6S2/c1-31-20-13-15(14-21-22(27)25(24(33)34-21)17-5-3-2-4-6-17)7-12-19(20)32-23(28)16-8-10-18(11-9-16)26(29)30/h7-14,17H,2-6H2,1H3/b21-14+InChIKey
PULOPOQTFZBVII-KGENOOAVSA-NSynonyms
(4((E)(3CYCLOHEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENYL)4NITROBENZOATE
(E)4((3cyclohexyl4oxo2thioxothiazolidin5ylidene)methyl)2methoxyphenyl4nitrobenzoate
4((E)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl4nitrobenzoate
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3CCCCC3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC24H22N2O6S2c131201315(142122(27)25(24(33)3421)175324617)71219(20)3223(28)1681018(11916)26(29)30h71417H26H21H3b2114+
MFCD01950358
ZINC000013774090
ZINC13774090
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